SCHEMBL3281697

SCHEMBL3281697

O=C(O)c1ccccc1CC(O)CO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.50
ALDH1A1 P00352 4/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
MAPT P10636 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
SCN9A Q15858 1/20 0.43
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 2/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA4 P22748 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
HMGB1 P09429 1/20 0.41
HPGD P15428 1/20 0.41
CA6 P23280 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Benzoic Acid SCHEMBL6382851 0.93 TSHR (0.53) FOLH1ALDH1A1ALOX15TSHRMAPT
SCHEMBL31612017 0.90 FOLH1 (0.55) FOLH1ALDH1A1ALOX15TSHRMAPT
SCHEMBL17629550 0.84 HMGB1 (0.54) FOLH1ALDH1A1ALOX15SCN9AKDM4E
SCHEMBL8887180 0.84 HMGB1 (0.54) FOLH1ALDH1A1ALOX15SCN9AKDM4E
SCHEMBL27677908 0.84 AKR1C3 (0.47) ALDH1A1TSHRMAPTGAA
SCHEMBL11216383 0.84 SCN9A (0.43) FOLH1ALDH1A1ALOX15TSHRMAPT
SCHEMBL8888079 0.84 HMGB1 (0.54) FOLH1ALDH1A1ALOX15SCN9AKDM4E
SCHEMBL7758673 0.84 FOLH1 (0.49) FOLH1ALDH1A1ALOX15TSHRMAPT
SCHEMBL29773094 0.84 SCN9A (0.44) FOLH1ALDH1A1TSHRMAPTSCN9A
SCHEMBL28093978 0.84 SCN9A (0.44) FOLH1ALDH1A1TSHRMAPTSCN9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0740933-B1 Nail varnish composition containing a crosslinked polyester OREAL (FR) 1997-03-26 EP claimed
WO-2020067021-A1 COSMETIC 株式会社ダイセル 2020-04-02 WO disclosed
WO-2019188625-A1 COSMETIC 株式会社ダイセル 2019-10-03 WO disclosed
CN-104185657-B Resin composition and cosmetic containing the same 株式会社高丝 2017-09-15 CN disclosed
EP-3178525-A1 SMART MASK FOR HEALTH CARE SERVICE Choi, Chong-sik (KR) 2017-06-14 EP disclosed
US-20170157435-A1 SMARTMASK FOR HEALTH MANAGEMENT SERVICE CHOI CHONG-SIK (KR) 2017-06-08 US disclosed
US-7709503-B2 Pyrrol derivatives with antibacterial activity ASTRAZENECA AB (SE) 2010-05-04 US disclosed
US-20060223801-A1 Pyrrol derivatives with antibacterial activity ASTRAZENECA AB (SE) 2006-10-05 US disclosed
EP-0201823-B1 NOVEL INTERMEDIATES FOR THE PRODUCTION OF PHARMACEUTICALS LILLY INDUSTRIES LIMITED (GB) 1990-12-05 EP disclosed
US-4963578-A LEUKOTRIN ANTAGONISTS; ANTIALLERGENS LILLY INDUSTRIES LIMITED (GB) 1990-10-16 US disclosed
US-RE33300-E LEUKOTRIENE ANTAGONISTS; ANTIALLERGENS ELI LILLY AND COMPANY (US) 1990-08-14 US disclosed
EP-0134111-B1 ARALIPHATIC SULPHIDES,SULPHONES AND SULPHOXIDES AND THEIR PHARMACEUTICAL USE Lilly Industries Limited (GB) 1988-12-07 EP disclosed
US-4665189-A LEUKOTRIENE ANTAGONISTS LILLY INDUSTRIES LIMITED (GB) 1987-05-12 US disclosed
EP-0201823-A2 Novel intermediates for the production of pharmaceuticals LILLY INDUSTRIES LIMITED (GB) 1986-11-20 EP disclosed
EP-0134111-A1 Araliphatic sulphides,sulphones and sulphoxides and their pharmaceutical use Lilly Industries Limited (GB) 1985-03-13 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060223801-A1 Pyrrol derivatives with antibacterial activity PEF1, PEPD, PELP1 FOLH1 1864/4885ALDH1A1 976/4885ALOX15 1295/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.